SCHEMBL7754495

SCHEMBL7754495

COc1cc(OC)nc(Oc2cccc(O)c2C(=O)OC(C)(C)C)n1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP3A4 P08684 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9294647 0.87 ALDH1A1 (0.56) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL9293375 0.83 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL9294680 0.83 CA12 (0.56) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL7753595 0.82 ALDH1A1 (0.44) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL7755677 0.80 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL7755689 0.80 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL9198250 0.80 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL7754261 0.80 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL7753627 0.80 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL7754266 0.80 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19CYP3A4GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010029239-A1 New herbicidal compositions CRAMP MICHAEL COLIN (GB) 2001-10-11 US disclosed
WO-2001047863-A2 NEW HERBICIDAL COMPOSITIONS AVENTIS CROPSCIENCE SA (FR) 2001-07-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010029239-A1 New herbicidal compositions DDT, CYP1B1, CYP4X1 CYP1A2 12/4885CYP2C9 38/4885CYP2C19 166/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.